(E)-1-(4-fluorophenyl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-fluorophenyl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-fluorophenyl)-3-[4-methoxy-3-(2-pyridylsulfanylmethyl)phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-fluorophenyl)-3-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-fluorophenyl)-3-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-fluorophenyl)-3-[4-methoxy-3-[(2-pyridylthio)methyl]phenyl]prop-2-en-1-one Formula: C22H18FNO2S MolecularWeight: 379.447223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)F)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)F)CSC3=CC=CC=N3

InChI

InChI=1S/C22H18FNO2S/c1-26-21-12-6-16(5-11-20(25)17-7-9-19(23)10-8-17)14-18(21)15-27-22-4-2-3-13-24-22/h2-14H,15H2,1H3/b11-5+